SCHEMBL74244

SCHEMBL74244

O=C(NC1CCCCC1)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.67
FAAH O00519 1/20 0.62
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
MDM2 Q00987 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HSD17B10 Q99714 2/20 0.56
SCN4A P35499 1/20 0.56
SCN9A Q15858 1/20 0.56
CHRNA7 P36544 1/20 0.55
HTR3A P46098 1/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL74832 1.00 MLLT1 (0.67) MLLT1FAAHKDM4EALDH1A1GAA
SCHEMBL19837645 1.00 MLLT1 (0.67) MLLT1FAAHKDM4EALDH1A1GAA
SCHEMBL76132 0.99 MLLT1 (0.69) MLLT1FAAHKDM4EALDH1A1GAA
SCHEMBL75198 0.96 MLLT1 (0.65) MLLT1FAAHKDM4EALDH1A1GAA
SCHEMBL4018254 0.93 KDM4E (0.62) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL30102648 0.87 MAOB (0.60) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19850663 0.86 NPC1 (0.56) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19837662 0.86 NPC1 (0.56) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL21490113 0.86 SMYD3 (0.71) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL19710676 0.86 SMYD3 (0.71) MLLT1KDM4EALDH1A1GAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-10383848-B2 Indole-based therapeutics CREIGHTON UNIVERSITY (US) 2019-08-20 US disclosed
US-10383848-B2 Indole-based therapeutics CREIGHTON UNIVERSITY (US) 2019-08-20 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 US disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 US disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 US disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 US disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 US disclosed
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS UNIV JOHNS HOPKINS (US) 2017-02-16 US disclosed
WO-2016171743-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-27 WO disclosed
WO-2016171743-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-27 WO disclosed
WO-2015164482-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-29 WO disclosed
WO-2015164482-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-29 WO disclosed
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 US disclosed
US-7855224-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2010-12-21 US disclosed
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders BENNANI YOUSSEF L 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 MLLT1 341/4885FAAH 80/4885KDM4E 447/4885
US-10383848-B2 Indole-based therapeutics IDO2, IDO1, INMT MLLT1 636/4885FAAH 335/4885KDM4E 1991/4885
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 MLLT1 1868/4885FAAH 134/4885KDM4E 3660/4885
US-20170044100-A1 INHIBITORS OF DRUG-RESISTANT MYCOBACTERIUM TUBERCULOSIS IDO2, IDO1, INMT MLLT1 399/4885FAAH 329/4885KDM4E 1684/4885
US-20180036283-A1 INDOLE-BASED THERAPEUTICS IDO2, IDO1, INMT MLLT1 636/4885FAAH 335/4885KDM4E 1991/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 MLLT1 1868/4885FAAH 134/4885KDM4E 3660/4885
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 MLLT1 341/4885FAAH 80/4885KDM4E 447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.